methyl 3-butyl-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NCC=C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H](C)C(=O)NCC=C

InChI

InChI=1S/C20H25N3O4S/c1-5-7-11-23-18(25)15-9-8-14(19(26)27-4)12-16(15)22-20(23)28-13(3)17(24)21-10-6-2/h6,8-9,12-13H,2,5,7,10-11H2,1,3-4H3,(H,21,24)/t13-/m1/s1